2-(2-hydroxyphenyl)-6-methylpyrimidin-4-ol

• ChemBase ID: 310754
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1(nc(cc(n1)C)O)c1c(O)cccc1
• Canonical SMILES: Cc1cc(O)nc(n1)c1ccccc1O
• InChI: InChI=1S/C11H10N2O2/c1-7-6-10(15)13-11(12-7)8-4-2-3-5-9(8)14/h2-6,14H,1H3,(H,12,13,15)
• InChIKey: FGYLXWYKNBVUNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyphenyl)-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-(2-hydroxyphenyl)-6-methylpyrimidin-4-ol
• Synonyms: 2-(2-hydroxyphenyl)-6-methyl-4-pyrimidinol

Database IDs

• CAS Number: 76467-22-6
• MDL Number: MFCD00476687

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6592274
• LogD (pH = 7.4): 2.3066704
• Log P: 2.666264
• Molar Refractivity: 67.0002 cm^3
• Polarizability: 21.789652 Å^3
• Polar Surface Area: 66.24 Å^2